3,3-difluoroazetidine

• ChemBase ID: 282216
• Molecular Formular: C3H5F2N
• Molecular Mass: 93.0753064
• Monoisotopic Mass: 93.03900561
• SMILES: C1(F)(F)CNC1
• Canonical SMILES: FC1(F)CNC1
• InChI: InChI=1S/C3H5F2N/c4-3(5)1-6-2-3/h6H,1-2H2
• InChIKey: QUHVRXKSQHIZNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-difluoroazetidine
• IUPAC Traditional name: 3,3-difluoroazetidine
• Synonyms: 3,3-difluoroazetidine

Database IDs

• MDL Number: MFCD08689579
• PubChem SID: 180667747
• PubChem CID: 2758248

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.28976655
• LogD (pH = 7.4): 0.3356222
• Log P: 0.3362393
• Molar Refractivity: 17.3924 cm^3
• Polarizability: 6.7264705 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.003

Product Information

• Purity: 95%